4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-3-[(pyridin-2-ylmethylamino)methyl]quinoline-6-carbonitrile

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-3-[(pyridin-2-ylmethylamino)methyl]quinoline-6-carbonitrile Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-3-[(2-pyridylmethylamino)methyl]quinoline-6-carbonitrile CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-3-[(2-pyridinylmethylamino)methyl]-6-quinolinecarbonitrile IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-3-[(pyridin-2-ylmethylamino)methyl]quinoline-6-carbonitrile Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-3-[(2-pyridylmethylamino)methyl]quinoline-6-carbonitrile Formula: C25H22ClN5O MolecularWeight: 443.92808

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=C3C=C(C=CC3=NC=C2CNCC4=CC=CC=N4)C#N)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C3C=C(C=CC3=NC=C2CNCC4=CC=CC=N4)C#N)Cl

InChI

InChI=1S/C25H22ClN5O/c1-32-24-8-6-18(11-22(24)26)13-31-25-19(14-28-16-20-4-2-3-9-29-20)15-30-23-7-5-17(12-27)10-21(23)25/h2-11,15,28H,13-14,16H2,1H3,(H,30,31)